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MMsINC code: MMs00428195

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)CN1c2c(cccc2)C(=O)N(CC)C1=O

InChI:

InChI=1/C18H15ClN2O3/c1-2-20-17(23)14-5-3-4-6-15(14)21(18(20)24)11-16(22)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.629 kcal/mol

Physical Properties
Molecular Weight: 342.782 g/mol	logS: -4.88667	SlogP: 3.625	Reactive groups: 0

Topological Properties
Globularity: 0.0866045	Sterimol/B1: 2.4088	Sterimol/B2: 2.947	Sterimol/B3: 4.53698
Sterimol/B4: 9.00672	Sterimol/L: 15.8499

Surface and Volume Properties
Accessible surface: 567.622	Positive charged surface: 284.848	Negative charged surface: 282.774	Volume: 309.375
Hydrophobic surface: 462.794	Hydrophilic surface: 104.828

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.